3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride

C15H24Cl2N4O3 — CID 119840811

IUPAC3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C15H22N4O3.2ClH/c16-6-5-14(20)17-12-1-3-13(4-2-12)18-15(21)11-19-7-9-22-10-8-19;;/h1-4H,5-11,16H2,(H,17,20)(H,18,21);2*1H
InChIKeyOPHWKLXTOCSXNZ-UHFFFAOYSA-N
MW379.29 g/mol
LogP1.09
Rot. Bonds6

About 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride

3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride (PubChem CID 119840811) has the molecular formula C15H24Cl2N4O3 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
PubChem CID119840811
Molecular FormulaC15H24Cl2N4O3
Molecular Weight379.29 g/mol
Exact Mass378.12
IUPAC Name3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C15H22N4O3.2ClH/c16-6-5-14(20)17-12-1-3-13(4-2-12)18-15(21)11-19-7-9-22-10-8-19;;/h1-4H,5-11,16H2,(H,17,20)(H,18,21);2*1H
InChIKeyOPHWKLXTOCSXNZ-UHFFFAOYSA-N
XLogP1.09
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 120612232
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120595053
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide
CID 46844280
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
2-morpholin-4-yl-N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]acetamide
CID 55505106

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride (CID 119840811) is 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride?
The InChIKey is OPHWKLXTOCSXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.2ClH/c16-6-5-14(20)17-12-1-3-13(4-2-12)18-15(21)11-19-7-9-22-10-8-19;;/h1-4H,5-11,16H2,(H,17,20)(H,18,21);2*1H.
What are the key properties of 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride?
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride has a molecular weight of 379.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119840811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).